Diethylhexyl IPDI

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  • Identifiers

    CAS number
    185568-15-4

    Molecular formula
    C28H54N2O4

    SMILES
    CCCCC(CC)COC(=O)NCC1(CC(CC(C1)(C)C)NC(=O)OCC(CC)CCCC)C

    Safety labels

  • Odor profile

    Fragrance
    Cooling 42.77%
    Mint 41.43%
    Herbal 38.86%
    Odorless 32.02%
    Woody 27.32%
    Savory 25.55%
    Grapefruit 23.18%
    Oily 22.62%
    Fresh 22.02%
    Tropical 21.02%

     

    Flavor
    Herbal 30.0%
    Mild 29.79%
    Bland 25.5%
    Green 25.23%
    Odorless 23.62%
    Waxy 22.11%
    Oily 22.04%
    Woody 22.01%
    Warm 20.56%
    Sandalwood 20.32%

     

    Odor impact est.
    Low

  • Properties

    XLogP3-AA
    8.7

    pKa est.
    6.49 (neutral)

    Molecular weight
    482.7 g/mol

    Vapor pressure est.

    • hPa @ 20°C
    • hPa @ 25°C

    Evaporation rate
    Ultra slow

    Boiling point est.
    447°C

    Flash point

    • 222.7 ˚C est.

  • Synonyms

    • Diethylhexyl IPDI
    • UNII-L4SEB7Q73D
    • Diethylhexyl IPDI [INCI]
    • L4SEB7Q73D
    • 185568-15-4
    • diethylhexyl isophorone diisocyanate
    • RefChem:200559
    • Diisooctyl IPDI
    • Monoderm I-8
    • (+/-)-Diisooctyl IPDI
    • Carbamic acid, (3-((((isooctyloxy)carbonyl)amino)methyl)-3,5,5-trmethylcyclohexyl)-, isooctyl ester
    • SCHEMBL1952450
    • DTXSID80939980
    • Q27282707
    • 2-Ethylhexyl hydrogen {3-[({[(2-ethylhexyl)oxy](hydroxy)methylidene}amino)methyl]-3,5,5-trimethylcyclohexyl}carbonimidate
    • 185568-15-4

  • Applications

    Diethylhexyl IPDI (CAS 185568-15-4) is a diisocyanate-derived building block for polyurethane resins. It is commonly used to prepare PU prepolymers for high-performance coatings, including industrial, wood, and automotive finishes; it serves as a key component in polyurethane adhesives and structural adhesives; it enables elastomeric sealants and flexible polyurethane coatings; and it functions as an intermediate in PU resin synthesis for plastics and other polymers to improve bonding and mechanical properties.

    gpt-5-nano

  • Solubility @25˚C

    Solvent Solubility (g/L)
    ethanol 156.25
    methanol 146.67
    isopropanol 102.51
    water 1.35
    ethyl acetate 250.2
    n-propanol 160.25
    acetone 242.26
    n-butanol 143.75
    acetonitrile 62.56
    DMF 423.22
    toluene 132.95
    isobutanol 135.32
    1,4-dioxane 196.5
    methyl acetate 203.21
    THF 613.05
    2-butanone 285.14
    n-pentanol 125.25
    sec-butanol 146.39
    n-hexane 14.75
    ethylene glycol 19.35
    NMP 994.4
    cyclohexane 22.78
    DMSO 319.37
    n-butyl acetate 187.84
    n-octanol 80.51
    chloroform 644.47
    n-propyl acetate 175.64
    acetic acid 414.43
    dichloromethane 551.88
    cyclohexanone 507.15
    propylene glycol 50.51
    isopropyl acetate 206.79
    DMAc 765.34
    2-ethoxyethanol 181.86
    isopentanol 127.04
    n-heptane 9.28
    ethyl formate 148.99
    1,2-dichloroethane 341.44
    n-hexanol 107.56
    2-methoxyethanol 241.0
    isobutyl acetate 140.04
    tetrachloromethane 126.62
    n-pentyl acetate 252.11
    transcutol 555.22
    n-heptanol 92.4
    ethylbenzene 60.13
    MIBK 178.14
    2-propoxyethanol 240.54
    tert-butanol 99.09
    MTBE 131.62
    2-butoxyethanol 231.68
    propionic acid 234.62
    o-xylene 98.35
    formic acid 152.12
    diethyl ether 126.07
    m-xylene 89.54
    p-xylene 80.13
    chlorobenzene 192.47
    dimethyl carbonate 138.7
    n-octane 5.51
    formamide 181.95
    cyclopentanone 600.26
    2-pentanone 268.52
    anisole 101.89
    cyclopentyl methyl ether 341.81
    gamma-butyrolactone 639.99
    1-methoxy-2-propanol 228.6
    pyridine 283.58
    3-pentanone 251.72
    furfural 421.78
    n-dodecane 3.17
    diethylene glycol 107.25
    diisopropyl ether 45.68
    tert-amyl alcohol 154.07
    acetylacetone 301.25
    n-hexadecane 3.71
    acetophenone 174.83
    methyl propionate 264.2
    isopentyl acetate 199.59
    trichloroethylene 745.28
    n-nonanol 80.02
    cyclohexanol 190.16
    benzyl alcohol 124.32
    2-ethylhexanol 71.94
    isooctanol 75.83
    dipropyl ether 72.92
    1,2-dichlorobenzene 180.52
    ethyl lactate 112.71
    propylene carbonate 376.11
    n-methylformamide 223.44
    2-pentanol 110.48
    n-pentane 14.76
    1-propoxy-2-propanol 187.28
    1-methoxy-2-propyl acetate 266.15
    2-(2-methoxypropoxy) propanol 190.29
    mesitylene 47.3
    ε-caprolactone 561.49
    p-cymene 42.35
    epichlorohydrin 611.9
    1,1,1-trichloroethane 362.79
    2-aminoethanol 71.78
    morpholine-4-carbaldehyde 540.42
    sulfolane 922.21
    2,2,4-trimethylpentane 13.54
    2-methyltetrahydrofuran 453.1
    n-hexyl acetate 273.32
    isooctane 5.75
    2-(2-butoxyethoxy)ethanol 253.55
    sec-butyl acetate 154.94
    tert-butyl acetate 225.38
    decalin 13.03
    glycerin 77.27
    diglyme 400.25
    acrylic acid 198.4
    isopropyl myristate 67.7
    n-butyric acid 338.47
    acetyl acetate 190.59
    di(2-ethylhexyl) phthalate 97.19
    ethyl propionate 162.7
    nitromethane 388.56
    1,2-diethoxyethane 166.18
    benzonitrile 104.36
    trioctyl phosphate 69.58
    1-bromopropane 191.37
    gamma-valerolactone 747.72
    n-decanol 49.15
    triethyl phosphate 90.09
    4-methyl-2-pentanol 68.62
    propionitrile 74.52
    vinylene carbonate 296.69
    1,1,2-trichlorotrifluoroethane 516.19
    DMS 207.45
    cumene 42.68
    2-octanol 66.07
    2-hexanone 183.96
    octyl acetate 109.0
    limonene 66.36
    1,2-dimethoxyethane 206.36
    ethyl orthosilicate 84.44
    tributyl phosphate 84.91
    diacetone alcohol 240.34
    N,N-dimethylaniline 90.96
    acrylonitrile 90.67
    aniline 159.53
    1,3-propanediol 119.93
    bromobenzene 188.05
    dibromomethane 347.1
    1,1,2,2-tetrachloroethane 639.72
    2-methyl-cyclohexyl acetate 151.84
    tetrabutyl urea 110.63
    diisobutyl methanol 35.19
    2-phenylethanol 117.79
    styrene 64.65
    dioctyl adipate 119.95
    dimethyl sulfate 306.94
    ethyl butyrate 140.24
    methyl lactate 161.49
    butyl lactate 206.19
    diethyl carbonate 85.73
    propanediol butyl ether 192.79
    triethyl orthoformate 113.79
    p-tert-butyltoluene 41.52
    methyl 4-tert-butylbenzoate 230.9
    morpholine 347.7
    tert-butylamine 58.05
    n-dodecanol 30.05
    dimethoxymethane 256.11
    ethylene carbonate 255.31
    cyrene 214.68
    2-ethoxyethyl acetate 328.97
    2-ethylhexyl acetate 169.5
    1,2,4-trichlorobenzene 270.28
    4-methylpyridine 300.96
    dibutyl ether 67.78
    2,6-dimethyl-4-heptanol 35.19
    DEF 356.45
    dimethyl isosorbide 308.56
    tetrachloroethylene 409.06
    eugenol 161.92
    triacetin 286.79
    span 80 178.47
    1,4-butanediol 54.55
    1,1-dichloroethane 323.32
    2-methyl-1-pentanol 123.32
    methyl formate 163.4
    2-methyl-1-butanol 157.27
    n-decane 7.32
    butyronitrile 88.83
    3,7-dimethyl-1-octanol 70.35
    1-chlorooctane 51.83
    1-chlorotetradecane 13.43
    n-nonane 6.77
    undecane 4.58
    tert-butylcyclohexane 11.34
    cyclooctane 8.88
    cyclopentanol 226.06
    tetrahydropyran 284.56
    tert-amyl methyl ether 164.36
    2,5,8-trioxanonane 233.23
    1-hexene 55.07
    2-isopropoxyethanol 151.22
    2,2,2-trifluoroethanol 195.54
    methyl butyrate 215.57

    Scent© AI

1 4

IFRA standard 51

Recommendation
No restriction
Maximum acceptable concentrations in the finished product (%)
Category 1
Products applied to the lips
 No restriction Category 7A
Rinse-off products applied to the hair with some hand contact
 No restriction
Category 2
Products applied to the axillae
 No restriction Category 7B
Leave-on products applied to the hair with some hand contact
 No restriction
Category 3
Products applied to the face/body using fingertips
 No restriction Category 8
Products with significant anogenital exposure
 No restriction
Category 4
Products related to fine fragrance
 No restriction Category 9
Products with body and hand exposure, primarily rinse off
 No restriction
Category 5A
Body lotion products applied to the body using the hands (palms), primarily leave on
 No restriction Category 10A
Household care products with mostly hand contact
 No restriction
Category 5B
Face moisturizer products applied to the face using the hands (palms), primarily leave on
 No restriction Category 10B
Household care products with mostly hand contact, including aerosol/spray products (with potential leave-on skin contact)
 No restriction
Category 5C
Hand cream products applied to the hands using the hands (palms), primarily leave on
 No restriction Category 11A
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate without UV exposure
 No restriction
Category 5D
Baby Creams, baby Oils and baby talc
 No restriction Category 11B
Products with intended skin contact but minimal transfer of fragrance to skin from inert substrate with potential UV exposure
 No restriction
Category 6
Products with oral and lip exposure
 No restriction Category 12
Products not intended for direct skin contact, minimal or insignificant transfer to skin
 No restriction